SCHEMBL8465866

SCHEMBL8465866

CCOc1ccc(-n2cnnn2)cc1C(=O)OC

nearest known ligand 0.56

Predicted protein targets (top 17)

geneUniProtsupporting neighboursconfidence
TP53 P04637 1/20 0.56
MEN1 O00255 3/20 0.56
KMT2A Q03164 3/20 0.56
TSHR P16473 3/20 0.54
HPGD P15428 2/20 0.53
LMNA P02545 1/20 0.53
CREBBP Q92793 1/20 0.53
ALDH1A1 P00352 3/20 0.53
MAPK10 P53779 1/20 0.52
MAPT P10636 1/20 0.51
CYP3A4 P08684 1/20 0.51
KDM4E B2RXH2 1/20 0.50
USP2 O75604 1/20 0.50
POLB P06746 1/20 0.50
RXFP1 Q9HBX9 1/20 0.50
NPC1 O15118 1/20 0.48
RAB9A P51151 1/20 0.48

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6424185 0.87 TP53 (0.61) TP53MEN1KMT2ATSHRHPGD
SCHEMBL6998975 0.81 TP53 (0.63) TP53MEN1KMT2AHPGDALDH1A1
SCHEMBL8702905 0.80 TP53 (0.61) TP53MEN1KMT2AHPGDALDH1A1
SCHEMBL6998971 0.78 TP53 (0.59) TP53MEN1KMT2AHPGDALDH1A1
SCHEMBL8530663 0.76 HPGD (0.54) MEN1KMT2ATSHRHPGDLMNA
SCHEMBL6989737 0.76 TP53 (0.56) TP53MEN1KMT2AHPGDALDH1A1
SCHEMBL8125656 0.76 ALDH1A1 (0.58) TP53MEN1KMT2ATSHRHPGD
SCHEMBL6425207 0.76 KMT2A (0.52) TP53MEN1KMT2ATSHRHPGD
SCHEMBL8134305 0.75 TP53 (0.52) TP53MEN1KMT2ATSHRHPGD
SCHEMBL6421265 0.74 KMT2A (0.51) TP53MEN1KMT2ATSHRHPGD

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 2 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-0920425-A1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1999-06-09 EP disclosed
WO-1997019074-A1 SUBSTITUTED 4-(1H-BENZIMIDAZOL-2-YL-AMINO)PIPERIDINES USEFUL FOR THE TREATMENT OF ALLERGIC DISEASES HOECHST MARION ROUSSEL, INC. (US) 1997-05-29 WO disclosed